N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine

C10H13ClF3NS — CID 102976982

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1csc(Cl)c1
InChIInChI=1S/C10H13ClF3NS/c1-6(4-10(12,13)14)15-7(2)8-3-9(11)16-5-8/h3,5-7,15H,4H2,1-2H3
InChIKeyGFZIRHWSKGQNEB-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 102976982) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
PubChem CID102976982
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NC(C)c1csc(Cl)c1
InChIInChI=1S/C10H13ClF3NS/c1-6(4-10(12,13)14)15-7(2)8-3-9(11)16-5-8/h3,5-7,15H,4H2,1-2H3
InChIKeyGFZIRHWSKGQNEB-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine (CID 102976982) is N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NC(C)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is GFZIRHWSKGQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-6(4-10(12,13)14)15-7(2)8-3-9(11)16-5-8/h3,5-7,15H,4H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 271.74 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 102976982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).